REMARK  Name = BDB021272
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.003  -0.595  -0.319  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1        2.409   0.700  -0.385  0.00  0.00    +0.152 A 
ATOM      3  N   LIG    1        1.062   0.785  -0.086  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1        0.695   2.103  -0.243  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        1.849   2.755  -0.612  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1        0.285  -0.329   0.294  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.845  -1.506   0.349  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.907   1.885  -0.688  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        2.184  -1.609   0.033  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        5.445   0.889   0.805  0.00  0.00    +0.173 C 
ATOM     11  N   LIG    1        5.428  -0.206  -0.139  0.00  0.00    -0.267 N 
ATOM     12  C   LIG    1        4.356  -0.913  -0.643  0.00  0.00    +0.074 A 
ATOM     13  C   LIG    1        4.915  -1.892  -1.445  0.00  0.00    +0.049 A 
ATOM     14  C   LIG    1        6.301  -1.694  -1.368  0.00  0.00    +0.135 A 
ATOM     15  N   LIG    1        6.621  -0.678  -0.568  0.00  0.00    -0.179 NA
ENDBRANCH   1  12
BRANCH   5  16
ATOM     16  C   LIG    1        1.999   4.151  -0.894  0.00  0.00    +0.121 C 
ATOM     17  N   LIG    1        2.083   5.289  -1.107  0.00  0.00    -0.189 NA
ENDBRANCH   5  16
BRANCH   6  18
ATOM     18  N   LIG    1       -1.047  -0.137   0.593  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1       -1.326   0.791   0.889  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -1.830  -1.186   1.223  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.281  -0.805   1.193  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -4.062  -0.940   0.049  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -3.722  -1.508  -1.278  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1       -4.948  -1.048  -2.067  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1       -6.034  -0.793  -1.146  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1       -5.403  -0.580   0.051  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1       -6.028  -0.072   1.172  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1       -5.261   0.092   2.325  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1       -3.907  -0.268   2.326  0.00  0.00    +0.129 A 
ATOM     30  F   LIG    1       -3.197  -0.085   3.449  0.00  0.00    -0.205 F 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 5